In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 31 | No |
Popular Name: 3-allyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide 3-allyl-N-[4-(3-methylbutanoylam…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.11 | 9.38 | -51.18 | 2 | 7 | -1 | 93 | 435.529 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 9.79 | -21.45 | 3 | 7 | 0 | 96 | 436.537 | 7 | ↓ |